Mordred

Latest version: v1.2.0

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0.5.1

bug fix

* fix RingCount description method (749aa079f3b84e809da4f74c319c18ca40084d0f)

0.5.0

new features
--
* description method for subclass of Descriptor class

0.4.1

broken changes
--
* return Result type instead of list (8d2e7b7e608e901f07382e84143fb744cdc08e7e)
* Calculator.pandas: use index when Series is provided (e2083f000a885d8ab986ee6c7ea82938433e5de5)
* get_descriptors_from_module: no sort (0173e27f4f3fb299725b1c880f5f6bac96c15efe)

0.4.0

new feature
==
* save/load descriptors list to json. (17, 13e1bf7a0cf6940505f0737fc4586db5f33d43f6)
* add `is_missing` function (f3978007ec3fefbdb3d0419467dfcc3b13fd6156)
* web UI (mordred-web packge: https://github.com/mordred-descriptor/mordred-web)

broken change
==
* raise TypeError when Calculator/Descriptor is provided non-Mol values. (thanks RunshengSong 16, 20, d584cb3a1944a1d75dbfad287535de7af5af59d7)

0.3.2

* conda: python3.6

0.3.1

new feature
==
* upload pypi https://pypi.python.org/pypi/mordred

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